2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate

C26H33N5O2 — CID 143559603

IUPAC2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate
SMILESCN(C)CCOC(=O)Nc1ccc(CNc2cc(-c3ccc(N(C)C)cc3)ccc2N)cc1
InChIInChI=1S/C26H33N5O2/c1-30(2)15-16-33-26(32)29-22-10-5-19(6-11-22)18-28-25-17-21(9-14-24(25)27)20-7-12-23(13-8-20)31(3)4/h5-14,17,28H,15-16,18,27H2,1-4H3,(H,29,32)
InChIKeyJHLNXABRQYJOOF-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.72
Rot. Bonds9

About 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate

2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate (PubChem CID 143559603) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate
PubChem CID143559603
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate
SMILESCN(C)CCOC(=O)Nc1ccc(CNc2cc(-c3ccc(N(C)C)cc3)ccc2N)cc1
InChIInChI=1S/C26H33N5O2/c1-30(2)15-16-33-26(32)29-22-10-5-19(6-11-22)18-28-25-17-21(9-14-24(25)27)20-7-12-23(13-8-20)31(3)4/h5-14,17,28H,15-16,18,27H2,1-4H3,(H,29,32)
InChIKeyJHLNXABRQYJOOF-UHFFFAOYSA-N
XLogP4.72
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 342112
CID 342112
CID 1253511
CID 1253511
CID 45260278
CID 45260278
CID 71465704
CID 71465704
CID 71465768
CID 71465768
CID 71465769
CID 71465769
CID 89183226
CID 89183226
CID 81299
CID 81299
CID 162644265
CID 162644265
CID 162663131
CID 162663131
CID 162676964
CID 162676964
CID 24745797
CID 24745797

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate?
The IUPAC name of 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate (CID 143559603) is 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate.
What is the SMILES notation for 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate?
The canonical SMILES for 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate is CN(C)CCOC(=O)Nc1ccc(CNc2cc(-c3ccc(N(C)C)cc3)ccc2N)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate?
The InChIKey is JHLNXABRQYJOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-30(2)15-16-33-26(32)29-22-10-5-19(6-11-22)18-28-25-17-21(9-14-24(25)27)20-7-12-23(13-8-20)31(3)4/h5-14,17,28H,15-16,18,27H2,1-4H3,(H,29,32).
What are the key properties of 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate?
2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate has a molecular weight of 447.58 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-[4-[[2-amino-5-[4-(dimethylamino)phenyl]anilino]methyl]phenyl]carbamate is sourced from PubChem (CID 143559603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).